[Pw_forum] fixing cell symmetry
Federico_Gallino at saes-group.com
Mon Jul 11 17:19:40 CEST 2016
a quick question about vc-relax.
Is it possible to keep the symmetry of the cell during the optimization?
For example, if you consider a cubic cell and you introduce a defect, loosing all the
symmetry operations, is it possible to use vc-relax in order to see how the cubic cell
will expand or contract due to the defect but still keeping the cubic shape?
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